Geometry & MOs

Info

ID:	382596
PubChem CID:	134973854
Reduced:	O11C62H64 (1)
Stoich.:	A11B62C64 (1)
Weight, g/mol:	418.214409
ΔH_f, kcal/mol:	-312.19
Dipole, Da:	10.82
IP(EA), eV:	-8.87(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-methyl-3,4,5-tris(phenylmethoxy)oxane

Drug info:

Smile

CC1[C@@H](C(C([C@H](O1)C2=CC(=C(C(=C2O)C(=O)C)O)[C@@H]3C(C([C@H](C(O3)C)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9

DOS

IR

Vibrations